3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole

C23H20N2O2S — CID 118733264

IUPAC3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole
SMILESO=S(=O)(Cc1ccccc1)N1Cc2ccccc2[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C23H20N2O2S/c26-28(27,16-17-8-2-1-3-9-17)25-15-18-10-4-5-11-19(18)23(25)21-14-24-22-13-7-6-12-20(21)22/h1-14,23-24H,15-16H2/t23-/m1/s1
InChIKeyWCZRIPJXOMUAPT-HSZRJFAPSA-N
MW388.49 g/mol
LogP4.60
Rot. Bonds4

About 3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole

3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole (PubChem CID 118733264) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole.

Molecular Properties

Compound Name3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole
PubChem CID118733264
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole
SMILESO=S(=O)(Cc1ccccc1)N1Cc2ccccc2[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C23H20N2O2S/c26-28(27,16-17-8-2-1-3-9-17)25-15-18-10-4-5-11-19(18)23(25)21-14-24-22-13-7-6-12-20(21)22/h1-14,23-24H,15-16H2/t23-/m1/s1
InChIKeyWCZRIPJXOMUAPT-HSZRJFAPSA-N
XLogP4.60
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole?
The IUPAC name of 3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole (CID 118733264) is 3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole.
What is the SMILES notation for 3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole?
The canonical SMILES for 3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole is O=S(=O)(Cc1ccccc1)N1Cc2ccccc2[C@@H]1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole?
The InChIKey is WCZRIPJXOMUAPT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-28(27,16-17-8-2-1-3-9-17)25-15-18-10-4-5-11-19(18)23(25)21-14-24-22-13-7-6-12-20(21)22/h1-14,23-24H,15-16H2/t23-/m1/s1.
What are the key properties of 3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole?
3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole has a molecular weight of 388.49 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-benzylsulfonyl-1,3-dihydroisoindol-1-yl]-1H-indole is sourced from PubChem (CID 118733264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).